SCHEMBL20123682

SCHEMBL20123682

Cc1cccc2c1SCc1c(cccc1C(F)(F)F)C2

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HRH1 P35367 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NOTUM Q6P988 1/20 0.31
AR P10275 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20123641 0.84 NOTUM (0.35) ALDH1A1L3MBTL1NOTUM
SCHEMBL20123632 0.82 MEN1 (0.37) MEN1KMT2A
SCHEMBL20123727 0.80 ACHE (0.35) MEN1KMT2ANOTUM
SCHEMBL20123824 0.77 MEN1 (0.34) MEN1KMT2A
SCHEMBL20123771 0.77 TEAD1 (0.33) ALDH1A1L3MBTL1HTR2AHTR2CHRH1
SCHEMBL21183807 0.77 CXCR5 (0.33) MEN1KMT2A
SCHEMBL20014747 0.74 KMT2A (0.41) ALDH1A1MEN1KMT2A
SCHEMBL20123649 0.74 ACHE (0.35) MEN1KMT2ANOTUM
SCHEMBL20123600 0.71 ADRA2A (0.33) MEN1KMT2A
SCHEMBL28259616 0.70 CHRNB2 (0.40) ALDH1A1L3MBTL1HTR2AHTR2CHRH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2620436-B1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2018-05-09 EP disclosed